2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C21H22N6 — CID 86282341

IUPAC2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCCc1cc(C)c2[nH]ccc2c1C(C)(NC)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C21H22N6/c1-5-14-8-12(2)18-15(6-7-24-18)17(14)21(3,23-4)20-26-16-9-13(10-22)11-25-19(16)27-20/h6-9,11,23-24H,5H2,1-4H3,(H,25,26,27)
InChIKeyHYWUNGUFGLSNOH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 86282341) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID86282341
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCCc1cc(C)c2[nH]ccc2c1C(C)(NC)c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C21H22N6/c1-5-14-8-12(2)18-15(6-7-24-18)17(14)21(3,23-4)20-26-16-9-13(10-22)11-25-19(16)27-20/h6-9,11,23-24H,5H2,1-4H3,(H,25,26,27)
InChIKeyHYWUNGUFGLSNOH-UHFFFAOYSA-N
XLogP3.66
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 86282341) is 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is CCc1cc(C)c2[nH]ccc2c1C(C)(NC)c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is HYWUNGUFGLSNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-5-14-8-12(2)18-15(6-7-24-18)17(14)21(3,23-4)20-26-16-9-13(10-22)11-25-19(16)27-20/h6-9,11,23-24H,5H2,1-4H3,(H,25,26,27).
What are the key properties of 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-(methylamino)ethyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 86282341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).